Information card for entry 7701598

Structure parameters

• Formula: C204 H456 N0 O172 Ti32
• Calculated formula: C204 H414.456 O151.228 Ti32
• Title of publication: Synthesis of titanium-oxo macrocyles and their catalytic properties for oxidative desulfurization.
• Authors of publication: Lv, Hai-Ting; Cui, Ying; Zou, Guo-Dong; Li, Na; Yang, Pei; Fan, Yang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14044 - 14048
• a: 51.758 ± 0.004 Å
• b: 14.9948 ± 0.0011 Å
• c: 47.346 ± 0.003 Å
• α: 90°
• β: 119.823 ± 0.002°
• γ: 90°
• Cell volume: 31879 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1548
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2837
• Weighted residual factors for all reflections included in the refinement: 0.3229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No